An accessible guide describes alloy cluster expansion methods for materials modeling and provides case studies that demonstrate construction and sampling for different levels of complexity. These methods are useful for modeling energy-relevant materials with chemical or structural disorder.

Based on field measurements in the Hexi Corridor in China, this study models the influence of long corridor terrain on atmospheric boundary layer turbulence. These findings are expected to inform the design of wind farms that capitalize on the aerodynamics of the long corridor.

In the pursuit of sustainable nuclear fusion energy, 21 promising plasma-facing materials (PFMs) for next-generation reactors like ITER are identified based on their ability to withstand the extreme conditions.

Using nonperturbative quantum dynamics, this work provides design guidelines for optimizing singlet fission in one-dimensional molecular rings. These insights may improve the light harvesting efficiency of organic solar cells.

To avoid power disruptions, all generators in a power grid must be synchronized. Here, the authors propose a mathematical approach to calculate all stable states of the lossless real power flow equations, which provide insights into the widely used linear power flow approximation and factors that limit the stability of power grids.

This experimental study examines how aluminum microstructures and defect densities affect the chemo-mechanical damage of aluminum-based anodes in lithium-ion batteries, revealing an inverse relationship between the extent of fracture and lithium trapping.

The authors use a numerical model to explore a general latent heat storage system and find that the shape of the container and its angle of incidence significantly impact the rate of melting and the efficiency of the system.

Transverse thermoelectric conversion is enhanced by the mixed-dimensionality of Fermi surfaces, as demonstrated through experimental and computational studies of axis-dependent conduction polarity in WSi${}_2$.

A model of the local reaction environment at the electrocatalytic solid-liquid interface is presented which accounts for potential-dependent adsorbate coverages and its influence on the surface charge density and differential capacitances.

Disrupting the paradigm that metallic materials make poor thermoelectrics, electronic transport modeling suggests that some metals can have ultrahigh thermoelectric power factors. This is enabled by electronic structures which impose carrier filtering via selective scattering by heavy bands.

Crystallographic defects limit the performance of Cu(In,Ga)Se${}_2$ thin film solar cells, but their electronic properties at surfaces or related interfaces and corresponding impact on device efficiency are not fully understood. This Review discusses recent progress in understanding these defects with a focus on passivation strategies to improve device efficiency.